2-azanyl-3-[2-(2-azanyl-3-methyl-butanoyl)-3-(2-azanyl-3-methyl-pentanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-3-methyl-butanoyl)-3-(2-azanyl-3-methyl-pentanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-3-methyl-butanoyl)-3-(2-amino-3-methyl-pentanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-3-methyl-1-oxobutyl)-3-(2-amino-3-methyl-1-oxopentyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-3-methylbutanoyl)-3-(2-amino-3-methylpentanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-amino-3-methyl-butanoyl)-3-(2-amino-3-methyl-pentanoyl)phenyl]propionic acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1=C(C(=CC=C1)CC(C(=O)O)N)C(=O)C(C(C)C)N)N

Isomeric SMILES

CCC(C)C(C(=O)C1=C(C(=CC=C1)CC(C(=O)O)N)C(=O)C(C(C)C)N)N

InChI

InChI=1S/C20H31N3O4/c1-5-11(4)17(23)18(24)13-8-6-7-12(9-14(21)20(26)27)15(13)19(25)16(22)10(2)3/h6-8,10-11,14,16-17H,5,9,21-23H2,1-4H3,(H,26,27)